p-Fluor-D-Phenylalanin - ≥98%(HPLC) , CAS No.18125-46-7

CAS: 18125-46-7 Cat. No.: I137496 Summenformel: C₉H₁₀FNO₂ Molekulargewicht: 183.18 Beilstein Registry Number: 2416149 EG-Nummer: 686-379-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

D-PHENYLALANINE, 4-FLUORO- | EN300-199904 | D-4-Fluoro phenylalanine | D-4-Fluorophenylalanine | p-Fluoro-D-phenylalanine, >=99.0% (sum of enantiomers, HPLC) | 4-Fluorophenylalanine, D- | AM83344 | HY-W015279 | UNII-963G7O1PVE | Q27271856 | (R)-2-Amino-3-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

D-PHENYLALANINE, 4-FLUORO- | EN300-199904 | D-4-Fluoro phenylalanine | D-4-Fluorophenylalanine | p-Fluoro-D-phenylalanine, >=99.0% (sum of enantiomers, HPLC) | 4-Fluorophenylalanine, D- | AM83344 | HY-W015279 | UNII-963G7O1PVE | Q27271856 | (R)-2-Amino-3-

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Inaktives Isomer von p-Fluorphenylalanin

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 488191223
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191223
• Kanonisches Lächeln: C1=CC(=CC=C1CC(C(=O)O)N)F
• IUPAC Name: (2R)-2-amino-3-(4-fluorophenyl)propanoic acid
• InChIKey: XWHHYOYVRVGJJY-MRVPVSSYSA-N
• INCHI: 1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m1/s1
• Isomere SMILES: C1=CC(=CC=C1C[C@H](C(=O)O)N)F
• WGK Deutschland: 3
• Molekulargewicht: 183.18
• Beilstein: 2416149
• Reaxy-Rn: 2938793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2938793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Phenylpropanoic acids D-alpha-amino acids Amphetamines and derivatives Fluorobenzenes Aralkylamines Aryl fluorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - D-alpha-amino acid - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organofluoride - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Spezifische Drehung [α]: 24° (C=1,H2O)
• Schmelzpunkt (°C): 245°C
• Molekulargewicht: 183.180 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.07 Da
• Monoisotopic Mass: 183.07 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 178.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1